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Ab initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

Tian Xiao-Qing1, Du Shi-Xuan1 and Gao Hong-Jun1

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In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te (001) surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te (110). This energy difference makes the preferential growth direction along the < 001 > direction. In addition, the higher surface energy of Bi2Te3 (110) and the lattice misfit between crystalline Bi2Te3 and Te along < 001 > direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer–Weber model is used. The theoretical results are in agreement with experimental observation.


PACS

81.16.-c Methods of nanofabrication and processing

68.35.Md Surface thermodynamics, surface energies

68.43.-h Chemisorption/physisorption: adsorbates on surfaces

Subjects

Surfaces, interfaces and thin films

Nanoscale science and low-D systems

Dates

Issue 1 (January 2008)

Received 16 May 2007, in final form 6 June 2007



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